4-[[4-[(3-methyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(3-methyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-methylbenzothiophene-2-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-methyl-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-methylbenzothiophene-2-carbonyl)piperazino]methyl]benzonitrile Formula: C22H21N3OS MolecularWeight: 375.48664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H21N3OS/c1-16-19-4-2-3-5-20(19)27-21(16)22(26)25-12-10-24(11-13-25)15-18-8-6-17(14-23)7-9-18/h2-9H,10-13,15H2,1H3